5-(2-chlorophenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(2-chlorophenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C21H25ClN2OS

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC=C1Cl

IUPAC: 5-(2-chlorophenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C21H25ClN2OS/c1-4-21(2,3)12-9-10-14-16(11-12)26-20-17(14)19(25)23-18(24-20)13-7-5-6-8-15(13)22/h5-8,12,18,24H,4,9-11H2,1-3H3,(H,23,25)

Composition: C (64.85%), H (6.48%), Cl (9.11%), N (7.20%), O (4.11%), S (8.24%)

Molar Mass: 388.95

Atom Count: 51

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	388.1376123
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RZPIGTDPKPTODF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	108.87
Topological Polar Surface Area	41.13
Polarizability	41.22
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25ClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00